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IPOL,iptyp,ipnit,ipstep,maxdis
This command controls DIIS interpolation. iptyp can be:
- DIIS
- direct inversion of the iterative subspace. This is the default and yields
mostly fastest convergence.
- DM
- obsolete. No effect in MOLPRO98
- HFM
- obsolete. No effect in MOLPRO98
- NONE
- No interpolation.
is the number of the iteration in which the interpolation starts. ipstep is the iteration increment between interpolations. maxdis is
the maximum dimension of the DIIS matrix (default 10).
molpro@molpro.net
Sep 24, 2008